SCHEMBL4957233

SCHEMBL4957233

O=C(O)N1CCCC(Cc2ccc(F)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD11B1 P28845 1/20 0.49
CCR3 P51677 4/20 0.48
TACR3 P29371 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21358908 1.00 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HSD11B1CCR3TACR3
SCHEMBL19994627 0.89 MEN1 (0.55) ALDH1A1CCR3MEN1POLBKMT2A
SCHEMBL6083278 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HSD11B1CCR3PSEN1
SCHEMBL16600579 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HSD11B1CCR3PSEN1
SCHEMBL22470620 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CCR3PSEN1PSEN2
SCHEMBL6975148 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HSD11B1CCR3PSEN1
SCHEMBL31324479 0.87 TACR3 (0.62) ALDH1A1SMN1; SMN2HSD11B1TACR3MEN1
SCHEMBL31326493 0.86 HSD11B1 (0.49) ALDH1A1HSD11B1TACR3POLB
SCHEMBL5582580 0.86 HSD11B1 (0.49) HSD11B1CCR3TACR3MEN1KMT2A
SCHEMBL28131904 0.86 EPHX2 (0.56) HSD11B1TACR3POLBKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
US-7230022-B2 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-12 US disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed
US-6984651-B2 Piperidine amides as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA, COMPANY (US) 2006-01-10 US disclosed
US-6949546-B2 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-27 US disclosed
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 US disclosed
WO-2005079497-A2 SUBSTITUTED FUSED BICYCLIC AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-01 WO disclosed
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-04-29 US disclosed
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-03-25 US disclosed
US-6638950-B2 Antiasthmatics and antiallergens, treating autoimmune pathologies such as rheumatoid arthritis and atherosclerosis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 US disclosed
US-6627629-B2 Useful for the treatment or prevention of asthma and other allergic diseases. BRISTOL-MYERS SQUIBB PHARMA 2003-09-30 US disclosed
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 EP disclosed
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-13 US disclosed
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-24 US disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity CCR3, CCR1, ACKR3 ALDH1A1 1698/4885SMN1; SMN2 2820/4885HSD11B1 4775/4885
US-20040058961-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 ALDH1A1 1357/4885SMN1; SMN2 3813/4885HSD11B1 1213/4885
US-20030032654-A1 N-ureidoheterocycloalkyl-piperidines as modulators of chemokine receptor activity CCR3, CCR1, ACKR3 ALDH1A1 1357/4885SMN1; SMN2 3813/4885HSD11B1 1213/4885
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity CCR3, CCR1, CCL11 ALDH1A1 722/4885SMN1; SMN2 3350/4885HSD11B1 2262/4885
US-20050197373-A1 Substituted fused bicyclic amines as modulators of chemokine receptor activity CCR3, CCR1, CCR2 ALDH1A1 2021/4885SMN1; SMN2 4503/4885HSD11B1 733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.